K292-1663 Screening compound: 4-({2-[({[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}methyl)sulfanyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl}methyl)cyclohexane-1-carboxylic acid

K292-1663 Screening compound: 4-({2-[({[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}methyl)sulfanyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl}methyl)cyclohexane-1-carboxylic acid
K292-1663 Screening compound: 4-({2-[({[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}methyl)sulfanyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl}methyl)cyclohexane-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K292-1663
4-({2-[({[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}methyl)sulfanyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl}methyl)cyclohexane-1-carboxylic acid

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K292-1663

Molecular Formula

C26H31N3O6S2 (C26 H31 N3 O6 S2)

Compound Name

4-({2-[({[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}methyl)sulfanyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl}methyl)cyclohexane-1-carboxylic acid

IUPAC name

4-({2-[({[2-(34-dimethoxyphenyl)ethyl]carbamoyl}methyl)sulfanyl]-4-oxo-3H4H-thieno[32-d]pyrimidin-3-yl}methyl)cyclohexane-1-carboxylic acid

SMILES

COc(ccc(CCNC(CSC(N(CC(CC1)CCC1C(O)=O)C1=O)=Nc2c1scc2)=O)c1)c1OC

InChI

InChI=1S/C26H31N3O6S2/c1-34-20-8-5-16(13-21(20)35-2)9-11-27-22(30)15-37-26-28-19-10-12-36-23(19)24(31)29(26)14-17-3-6-18(7-4-17)25(32)33/h5,8,10,12-13,17-18H,3-4,6-7,9,11,14-15H2,1-2H3,(H,27,30)(H,32,33)

InChI Key

IKMNNZLTTUJTKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15091980

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.68

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.602

Distribution Coefficient, logD

0.042

Water Solubility, LogSw

-2.91

Polar Surface Area

94.963

Acid Dissociation Constant (pKa)

4.84

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

K292-1663 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

3D-Biodiversity Library (27607 compounds)

CORONAVIRUS Library (20774 compounds)

Dark Chemical Matter Library (18430 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Structure:
  • 3D
  • Pool
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic

References: we are preparing a list of scientific research reports with K292-1663 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K292-1663?
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What is the minimum amount of K292-1663 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K292-1663
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K292-1663
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of K292-1663 available by request